2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide

C11H17N5O2 — CID 136956224

IUPAC2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H17N5O2/c12-9(17)6-16-3-1-8(2-4-16)15-10-5-11(18)14-7-13-10/h5,7-8H,1-4,6H2,(H2,12,17)(H2,13,14,15,18)
InChIKeyCYSJOQNRVZAAOD-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.87
Rot. Bonds4

About 2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide

2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide (PubChem CID 136956224) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
PubChem CID136956224
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H17N5O2/c12-9(17)6-16-3-1-8(2-4-16)15-10-5-11(18)14-7-13-10/h5,7-8H,1-4,6H2,(H2,12,17)(H2,13,14,15,18)
InChIKeyCYSJOQNRVZAAOD-UHFFFAOYSA-N
XLogP-0.87
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
4-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 154781909
4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 135906347
N-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]-3-sulfanylpropanamide
CID 177681121
3-(6-Oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 134580135
9-(1-Propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione
CID 135971554
9-Piperidin-4-yl-1,7-dihydropurine-6,8-dione
CID 136612257
6-(4-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136958169
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
2,6-Diamino-1-piperidin-4-ylpyrimidin-4-one
CID 140969377
5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide
CID 162725265

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide (CID 136956224) is 2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(Nc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is CYSJOQNRVZAAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c12-9(17)6-16-3-1-8(2-4-16)15-10-5-11(18)14-7-13-10/h5,7-8H,1-4,6H2,(H2,12,17)(H2,13,14,15,18).
What are the key properties of 2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 136956224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).